In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2009 | 43 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.09 | 2.8 | -51.37 | 8 | 13 | 1 | 196 | 596.709 | 16 | ↓ |
Hi High (pH 8-9.5) | -0.09 | 1.54 | -21.55 | 7 | 13 | 0 | 192 | 595.701 | 16 | ↓ |